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3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid, tms derivative
SpectraBase Compound ID 9oV7GJZ5voX
InChI InChI=1S/C15H25NO4Si/c1-7-19-15(18)14-10(2)12(11(3)16-14)8-9-13(17)20-21(4,5)6/h16H,7-9H2,1-6H3
InChIKey QLEBGRFIMZZYKB-UHFFFAOYSA-N
Mol Weight 311.45 g/mol
Molecular Formula C15H25NO4Si
Exact Mass 311.155285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ko7LYJ6ntAc
Name 3-[5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 311.155284820 u
Formula C15H25NO4Si
InChI InChI=1S/C15H25NO4Si/c1-7-19-15(18)14-10(2)12(11(3)16-14)8-9-13(17)20-21(4,5)6/h16H,7-9H2,1-6H3
InChIKey QLEBGRFIMZZYKB-UHFFFAOYSA-N
Molecular Weight 311.453 g/mol
SMILES C=1(NC(=C(C1CCC(=O)O[Si](C)(C)C)C)C(=O)OCC)C